> I have another problem. After running 'min ....', I got a structure with > very small force. However, when I do another calculation with the > structure I got, the total force on each atom becomes very large. What > is the reason for this?
Check whether it mentions partial forces or total forces at the end of the :FOR or :FGL lines. Probably your calculation with large forces was done withouth -fc, and lists only the partial forces. Add another iteration with TOT changed to FOR in case.in2(c) (which is what -fc does in its last iteration). Stefaan
